@MOLECULE trans-3-bromocinnamic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.1809 0.6968 -0.1118 Br 1 UNL1111111111 -0.0472 2 O 5.4331 -0.0514 -0.7769 O.3 1 UNL1111111111 -0.5539 3 O 4.6506 1.5205 0.5960 O.2 1 UNL1111111111 -0.5050 4 C 0.7809 -0.4693 0.2713 C.ar 1 UNL1111111111 -0.0269 5 C -0.3825 0.3029 0.1704 C.ar 1 UNL1111111111 -0.1484 6 C 0.6965 -1.8649 0.2526 C.ar 1 UNL1111111111 -0.1354 7 C 2.0710 0.2059 0.4028 C.2 1 UNL1111111111 -0.0426 8 C -1.6028 -0.3453 0.0400 C.ar 1 UNL1111111111 -0.0226 9 C -0.5424 -2.4907 0.1309 C.ar 1 UNL1111111111 -0.1362 10 C -1.7067 -1.7317 0.0199 C.ar 1 UNL1111111111 -0.1468 11 C 3.1754 -0.1950 -0.2414 C.2 1 UNL1111111111 -0.2741 12 C 4.4341 0.5356 -0.0642 C.2 1 UNL1111111111 0.6430 13 H -0.3162 1.3919 0.1883 H 1 UNL1111111111 0.1760 14 H 1.6020 -2.4660 0.3414 H 1 UNL1111111111 0.1645 15 H 2.0846 1.0842 1.0648 H 1 UNL1111111111 0.1795 16 H -0.6034 -3.5788 0.1214 H 1 UNL1111111111 0.1597 17 H -2.6724 -2.2282 -0.0788 H 1 UNL1111111111 0.1711 18 H 3.2070 -1.0496 -0.9191 H 1 UNL1111111111 0.1901 19 H 6.3021 0.4125 -0.6880 H 1 UNL1111111111 0.3549 @BOND 1 1 8 1 2 2 12 1 3 2 19 1 4 3 12 2 5 4 5 ar 6 4 6 ar 7 4 7 1 8 5 8 ar 9 5 13 1 10 6 9 ar 11 6 14 1 12 7 11 2 13 7 15 1 14 8 10 ar 15 9 10 ar 16 9 16 1 17 10 17 1 18 11 12 1 19 11 18 1